methanamine;3-(trifluoromethyl)piperidine-2-carbaldehyde

C8H15F3N2O — CID 144773727

IUPACmethanamine;3-(trifluoromethyl)piperidine-2-carbaldehyde
SMILESCN.O=CC1NCCCC1C(F)(F)F
InChIInChI=1S/C7H10F3NO.CH5N/c8-7(9,10)5-2-1-3-11-6(5)4-12;1-2/h4-6,11H,1-3H2;2H2,1H3
InChIKeyGZVGDZVWZYWOGK-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.69
Rot. Bonds1

About methanamine;3-(trifluoromethyl)piperidine-2-carbaldehyde

methanamine;3-(trifluoromethyl)piperidine-2-carbaldehyde (PubChem CID 144773727) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is methanamine;3-(trifluoromethyl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Namemethanamine;3-(trifluoromethyl)piperidine-2-carbaldehyde
PubChem CID144773727
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Namemethanamine;3-(trifluoromethyl)piperidine-2-carbaldehyde
SMILESCN.O=CC1NCCCC1C(F)(F)F
InChIInChI=1S/C7H10F3NO.CH5N/c8-7(9,10)5-2-1-3-11-6(5)4-12;1-2/h4-6,11H,1-3H2;2H2,1H3
InChIKeyGZVGDZVWZYWOGK-UHFFFAOYSA-N
XLogP0.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2R,4S)-2-(trifluoromethyl)piperidine-4-carbaldehyde
CID 118902444
2-(Trifluoromethyl)piperidine-4-carbaldehyde
CID 118902455
1-[3-(Trifluoromethyl)piperidin-2-yl]ethanone
CID 121371166
2-(2,2,2-Trifluoroacetyl)piperidine-4-carbaldehyde
CID 132121822
4-Azido-5-(trifluoromethyl)piperidine-2-carbaldehyde
CID 139581473
5,5-Difluoropiperidine-2-carbaldehyde
CID 156542763
(3R)-3-(trifluoromethyl)piperidine-2-carbaldehyde
CID 169961235
2-(Cyclohexylamino)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetaldehyde
CID 170115090
2-(Trifluoromethyl)piperidine-3-carbaldehyde
CID 174302432
5-(Trifluoromethyl)piperidine-2-carbaldehyde
CID 174538090
3,3-Difluoropiperidine-2-carbaldehyde
CID 174838107
2-Fluoro-3-piperidin-4-ylpropanal
CID 105431225

Frequently Asked Questions

What is the IUPAC name of methanamine;3-(trifluoromethyl)piperidine-2-carbaldehyde?
The IUPAC name of methanamine;3-(trifluoromethyl)piperidine-2-carbaldehyde (CID 144773727) is methanamine;3-(trifluoromethyl)piperidine-2-carbaldehyde.
What is the SMILES notation for methanamine;3-(trifluoromethyl)piperidine-2-carbaldehyde?
The canonical SMILES for methanamine;3-(trifluoromethyl)piperidine-2-carbaldehyde is CN.O=CC1NCCCC1C(F)(F)F.
What is the InChIKey of methanamine;3-(trifluoromethyl)piperidine-2-carbaldehyde?
The InChIKey is GZVGDZVWZYWOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO.CH5N/c8-7(9,10)5-2-1-3-11-6(5)4-12;1-2/h4-6,11H,1-3H2;2H2,1H3.
What are the key properties of methanamine;3-(trifluoromethyl)piperidine-2-carbaldehyde?
methanamine;3-(trifluoromethyl)piperidine-2-carbaldehyde has a molecular weight of 212.21 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;3-(trifluoromethyl)piperidine-2-carbaldehyde is sourced from PubChem (CID 144773727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).